(4Z)-8-methoxycyclooct-4-en-1-one

C9H14O2 — CID 101173369

IUPAC(4Z)-8-methoxycyclooct-4-en-1-one
SMILESCOC1CC/C=C\CCC1=O
InChIInChI=1S/C9H14O2/c1-11-9-7-5-3-2-4-6-8(9)10/h2-3,9H,4-7H2,1H3/b3-2-
InChIKeyLVCQEMYWSQETKI-IHWYPQMZSA-N
MW154.21 g/mol
LogP1.70
Rot. Bonds1

About (4Z)-8-methoxycyclooct-4-en-1-one

(4Z)-8-methoxycyclooct-4-en-1-one (PubChem CID 101173369) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is (4Z)-8-methoxycyclooct-4-en-1-one.

Molecular Properties

Compound Name(4Z)-8-methoxycyclooct-4-en-1-one
PubChem CID101173369
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name(4Z)-8-methoxycyclooct-4-en-1-one
SMILESCOC1CC/C=C\CCC1=O
InChIInChI=1S/C9H14O2/c1-11-9-7-5-3-2-4-6-8(9)10/h2-3,9H,4-7H2,1H3/b3-2-
InChIKeyLVCQEMYWSQETKI-IHWYPQMZSA-N
XLogP1.70
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(4Z)-8-hydroxy-cyclooct-4-en-1-one
CID 5381495
(4Z,8Z)-12-methoxycyclododeca-4,8-dien-1-one
CID 20071260
3-Methoxyoct-7-en-2-one
CID 11019112
(4Z)-9-oxabicyclo[6.1.0]non-4-en-2-one
CID 14546311
1-(6-methyl-3,4-dihydro-2H-pyran-2-yl)pent-4-en-1-one
CID 101800518
2-Hydroxy-5-cycloocten-1-one
CID 273705
ethyl [(4Z)-8-oxocyclooct-4-en-1-yl] sulfate
CID 10729215
(4Z,8Z)-12-pentoxycyclododeca-4,8-dien-1-one
CID 20071251
(4Z,8Z)-12-(2-methylpropoxy)cyclododeca-4,8-dien-1-one
CID 20071252
(4Z,8Z)-12-(2,2-dimethylpropoxy)cyclododeca-4,8-dien-1-one
CID 20071265
6-Hepten-2-one, 3-methoxy-
CID 45085639
12-Pentyloxy-4,8-cyclododecadien-1-one
CID 53660533

Frequently Asked Questions

What is the IUPAC name of (4Z)-8-methoxycyclooct-4-en-1-one?
The IUPAC name of (4Z)-8-methoxycyclooct-4-en-1-one (CID 101173369) is (4Z)-8-methoxycyclooct-4-en-1-one.
What is the SMILES notation for (4Z)-8-methoxycyclooct-4-en-1-one?
The canonical SMILES for (4Z)-8-methoxycyclooct-4-en-1-one is COC1CC/C=C\CCC1=O.
What is the InChIKey of (4Z)-8-methoxycyclooct-4-en-1-one?
The InChIKey is LVCQEMYWSQETKI-IHWYPQMZSA-N. The full InChI is InChI=1S/C9H14O2/c1-11-9-7-5-3-2-4-6-8(9)10/h2-3,9H,4-7H2,1H3/b3-2-.
What are the key properties of (4Z)-8-methoxycyclooct-4-en-1-one?
(4Z)-8-methoxycyclooct-4-en-1-one has a molecular weight of 154.21 g/mol, XLogP of 1.70, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-8-methoxycyclooct-4-en-1-one is sourced from PubChem (CID 101173369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).